Type | Intent | Optional | Attributes | Name | ||
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type(ommp_qm_helper), | intent(inout) | :: | qm |
ommp_qm_helper object to be initialized |
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integer(kind=ip), | intent(in) | :: | qmat |
Number of QM atoms |
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real(kind=rp), | intent(in) | :: | cqm(:,:) |
Coordinates of QM atoms |
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real(kind=rp), | intent(in) | :: | qqm(:) |
Nuclear charges of QM atoms |
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integer(kind=ip), | intent(in) | :: | zqm(:) |
Atomic number of QM atoms |